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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50392576'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50392576
PNG
(CHEMBL2152827)
Show SMILES CCCCCn1cc(C(=O)NOCc2ccccc2)c(=O)c2ccc(Sc3ccccc3)cc12
Show InChI InChI=1S/C28H28N2O3S/c1-2-3-10-17-30-19-25(28(32)29-33-20-21-11-6-4-7-12-21)27(31)24-16-15-23(18-26(24)30)34-22-13-8-5-9-14-22/h4-9,11-16,18-19H,2-3,10,17,20H2,1H3,(H,29,32)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12.9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane


Eur J Med Chem 58: 30-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.035
BindingDB Entry DOI: 10.7270/Q2JD4XW2
More data for this
Ligand-Target Pair